SCHEMBL7303830

SCHEMBL7303830

Cc1c(C)c2ccc(OCc3cc(C4CC4)no3)cc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.55
MAOB P27338 10/20 0.55
MAOA P21397 3/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5617681 0.96 MAOB (0.53) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL7295636 0.96 MAOB (0.53) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL5618127 0.95 MAOB (0.52) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL7294324 0.94 MAOB (0.51) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL5617544 0.90 ACHE (0.49) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL7301295 0.84 ACHE (0.62) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL7294118 0.82 ALDH1A1 (0.57) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL7295471 0.81 ACHE (0.56) ACHEMAOBMAOA
SCHEMBL7302328 0.81 ACHE (0.56) ACHEMAOBMAOAALDH1A1POLB
SCHEMBL7296704 0.80 MAOB (0.55) ACHEMAOBMAOAALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5227392-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed